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Dimethyl ester of urobilinogen - lower polarity component
SpectraBase Compound ID BSJJUIkqknI
InChI InChI=1S/C35H48N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h28-29,36-37H,9-17H2,1-8H3,(H,38,43)(H,39,42)
InChIKey KYCFOGRNQDEWHD-UHFFFAOYSA-N
Mol Weight 620.8 g/mol
Molecular Formula C35H48N4O6
Exact Mass 620.357385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f41HvzdK6t
Name Dimethyl ester of urobilinogen - lower polarity component
Alternate Name(s) 3-[5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol- 3-yl]propanoic acid methyl ester Methyl 3-[5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H- Pyrrol-3-yl]propanoate Methyl 3-[5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H -pyrrol-3-yl]propanoate Methyl 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-p yrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
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Formula C35H48N4O6
InChI InChI=1S/C35H48N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h28-29,36-37H,9-17H2,1-8H3,(H,38,43)(H,39,42)
InChIKey KYCFOGRNQDEWHD-UHFFFAOYSA-N
Molecular Weight 620.791 g/mol
SMILES [nH]1c(Cc2c(c(c(CC3C(=C(C(N3)=O)CC)C)[nH]2)C)CCC(=O)OC)c(c(C)c1CC1NC(C(=C1CC)C)=O)CCC(=O)OC
SPLASH splash10-00dj-0509600000-f1600ec5c9fc85f3fd8d
Source of Spectrum AH-126-360-Less polar racemic mixture of 5b
Wiley ID 1411422